1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone

C12H19F3N2O2 — CID 88924196

IUPAC1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)CNCC2(CCN(C(=O)C(F)(F)F)CO2)C1
InChIInChI=1S/C12H19F3N2O2/c1-10(2)5-11(7-16-6-10)3-4-17(8-19-11)9(18)12(13,14)15/h16H,3-8H2,1-2H3
InChIKeyRXTFEPCWUJGMCD-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.51
Rot. Bonds

About 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone

1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone (PubChem CID 88924196) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone
PubChem CID88924196
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)CNCC2(CCN(C(=O)C(F)(F)F)CO2)C1
InChIInChI=1S/C12H19F3N2O2/c1-10(2)5-11(7-16-6-10)3-4-17(8-19-11)9(18)12(13,14)15/h16H,3-8H2,1-2H3
InChIKeyRXTFEPCWUJGMCD-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-(8-ethyl-10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 88924259
acetic acid;1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
CID 86672453
1-(4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
CID 88924194
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2,2-trifluoroethanone
CID 107300809
1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
2,2,2-trifluoro-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406145
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 126993688
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanone
CID 75396486
2,2,2-trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone
CID 88544987

Frequently Asked Questions

What is the IUPAC name of 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone (CID 88924196) is 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone is CC1(C)CNCC2(CCN(C(=O)C(F)(F)F)CO2)C1.
What is the InChIKey of 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is RXTFEPCWUJGMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-10(2)5-11(7-16-6-10)3-4-17(8-19-11)9(18)12(13,14)15/h16H,3-8H2,1-2H3.
What are the key properties of 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone?
1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 280.29 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 88924196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).